(2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide

C18H19ClN2O3 — CID 118733304

IUPAC(2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(NCCCl)/C(Cc1ccc(OCc2ccccc2)cc1)=N\O
InChIInChI=1S/C18H19ClN2O3/c19-10-11-20-18(22)17(21-23)12-14-6-8-16(9-7-14)24-13-15-4-2-1-3-5-15/h1-9,23H,10-13H2,(H,20,22)/b21-17-
InChIKeyPRORPGYEDLLOMP-FXBPSFAMSA-N
MW346.81 g/mol
LogP2.99
Rot. Bonds8

About (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide

(2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide (PubChem CID 118733304) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide
PubChem CID118733304
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name(2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(NCCCl)/C(Cc1ccc(OCc2ccccc2)cc1)=N\O
InChIInChI=1S/C18H19ClN2O3/c19-10-11-20-18(22)17(21-23)12-14-6-8-16(9-7-14)24-13-15-4-2-1-3-5-15/h1-9,23H,10-13H2,(H,20,22)/b21-17-
InChIKeyPRORPGYEDLLOMP-FXBPSFAMSA-N
XLogP2.99
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate
CID 101385943
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
2-chloro-N-(2-chloroethyl)-4-phenylmethoxybenzamide
CID 3826640
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
N-[2-[3,5-dibromo-4-[3-(methylamino)propoxy]phenyl]ethyl]-2-hydroxyimino-3-phenylpropanamide
CID 162856849
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide
CID 124560470

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide (CID 118733304) is (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide is O=C(NCCCl)/C(Cc1ccc(OCc2ccccc2)cc1)=N\O.
What is the InChIKey of (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is PRORPGYEDLLOMP-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-10-11-20-18(22)17(21-23)12-14-6-8-16(9-7-14)24-13-15-4-2-1-3-5-15/h1-9,23H,10-13H2,(H,20,22)/b21-17-.
What are the key properties of (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide?
(2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 346.81 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 118733304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).